N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C14H15N5OS — CID 70785914

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCc1cn2cccnc2n1
InChIInChI=1S/C14H15N5OS/c1-10-12(21-9-17-10)3-4-13(20)16-7-11-8-19-6-2-5-15-14(19)18-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,16,20)
InChIKeyCPNUDVDSIJSFIK-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.74
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70785914) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70785914
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NCc1cn2cccnc2n1
InChIInChI=1S/C14H15N5OS/c1-10-12(21-9-17-10)3-4-13(20)16-7-11-8-19-6-2-5-15-14(19)18-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,16,20)
InChIKeyCPNUDVDSIJSFIK-UHFFFAOYSA-N
XLogP1.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 74246486
3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
CID 79790769
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 70769500
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)acetamide
CID 42272926
N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide
CID 126842056
N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56906594

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70785914) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NCc1cn2cccnc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is CPNUDVDSIJSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-10-12(21-9-17-10)3-4-13(20)16-7-11-8-19-6-2-5-15-14(19)18-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,16,20).
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 301.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70785914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).