N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine

C20H27N7OS — CID 167132052

IUPACN-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(Nc2c(-c3ncc(OC4CCCCC4)c(C)n3)cnn2C)n1
InChIInChI=1S/C20H27N7OS/c1-4-8-17-24-20(29-26-17)25-19-15(11-22-27(19)3)18-21-12-16(13(2)23-18)28-14-9-6-5-7-10-14/h11-12,14H,4-10H2,1-3H3,(H,24,25,26)
InChIKeyFNPFOCMWQKHLIP-UHFFFAOYSA-N
MW413.55 g/mol
LogP4.44
Rot. Bonds7

About N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 167132052) has the molecular formula C20H27N7OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID167132052
Molecular FormulaC20H27N7OS
Molecular Weight413.55 g/mol
Exact Mass413.20
IUPAC NameN-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(Nc2c(-c3ncc(OC4CCCCC4)c(C)n3)cnn2C)n1
InChIInChI=1S/C20H27N7OS/c1-4-8-17-24-20(29-26-17)25-19-15(11-22-27(19)3)18-21-12-16(13(2)23-18)28-14-9-6-5-7-10-14/h11-12,14H,4-10H2,1-3H3,(H,24,25,26)
InChIKeyFNPFOCMWQKHLIP-UHFFFAOYSA-N
XLogP4.44
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-(bromomethyl)-1-methylpyrazol-4-yl]-5-cyclohexyloxy-4-methylpyrimidine
CID 167132021
trans-(1S,3S)-3-[2-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 155142400
trans-(1S,3S)-3-[2-[5-[2-(cyclopropylmethoxy)-2-oxoethyl]-1-methylpyrazol-4-yl]-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 158954898
2-chloro-5-cyclohexyloxy-4-methylpyrimidine
CID 167132041
trans-propan-2-yl (1S,3S)-3-[2-(5-formyl-1-methylpyrazol-4-yl)-4-methylpyrimidin-5-yl]oxycyclohexane-1-carboxylate
CID 155226945
N-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]-4-ethoxypyrimidin-2-amine
CID 175903037
trans-(1S,3S)-3-[4-methyl-2-[1-methyl-5-[[(2-phenyltriazol-4-yl)amino]methyl]pyrazol-4-yl]pyrimidin-5-yl]oxycyclohexane-1-carboxylic acid
CID 155678001
trans-propan-2-yl (1S,3S)-3-[4-methyl-2-[1-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-4-yl]pyrimidin-5-yl]oxycyclohexane-1-carboxylate
CID 161401837
(Z)-1-[amino-[[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl]amino]-3-cyclopropylprop-1-en-2-amine;formic acid
CID 142610849
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 115309534
[4-(5-cyclohexyloxy-4-ethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]methyl N-benzyl-N-methylcarbamate
CID 175877043

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 167132052) is N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(Nc2c(-c3ncc(OC4CCCCC4)c(C)n3)cnn2C)n1.
What is the InChIKey of N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FNPFOCMWQKHLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7OS/c1-4-8-17-24-20(29-26-17)25-19-15(11-22-27(19)3)18-21-12-16(13(2)23-18)28-14-9-6-5-7-10-14/h11-12,14H,4-10H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 413.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclohexyloxy-4-methylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 167132052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).