[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol

C14H23N3OS — CID 63915678

IUPAC[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
SMILESCN1CCC(CN(C)c2nc(C3CC3)c(CO)s2)C1
InChIInChI=1S/C14H23N3OS/c1-16-6-5-10(7-16)8-17(2)14-15-13(11-3-4-11)12(9-18)19-14/h10-11,18H,3-9H2,1-2H3
InChIKeyCCRVXSNFAGIYJC-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.90
Rot. Bonds5

About [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol (PubChem CID 63915678) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
PubChem CID63915678
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
SMILESCN1CCC(CN(C)c2nc(C3CC3)c(CO)s2)C1
InChIInChI=1S/C14H23N3OS/c1-16-6-5-10(7-16)8-17(2)14-15-13(11-3-4-11)12(9-18)19-14/h10-11,18H,3-9H2,1-2H3
InChIKeyCCRVXSNFAGIYJC-UHFFFAOYSA-N
XLogP1.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 63917237
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917357
5-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115424466
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 107510376
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624936
[4-cyclopropyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 63915868
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
[4-cyclopropyl-2-[2-(dimethylamino)ethyl-propylamino]-1,3-thiazol-5-yl]methanol
CID 63917040
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol (CID 63915678) is [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol is CN1CCC(CN(C)c2nc(C3CC3)c(CO)s2)C1.
What is the InChIKey of [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is CCRVXSNFAGIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-16-6-5-10(7-16)8-17(2)14-15-13(11-3-4-11)12(9-18)19-14/h10-11,18H,3-9H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 281.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).