3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile

C10H15N3S — CID 63821064

IUPAC3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
SMILESCc1ncsc1CN(C)C(C)CC#N
InChIInChI=1S/C10H15N3S/c1-8(4-5-11)13(3)6-10-9(2)12-7-14-10/h7-8H,4,6H2,1-3H3
InChIKeyPHVADPIQQRTIGA-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.19
Rot. Bonds4

About 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile (PubChem CID 63821064) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
PubChem CID63821064
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
SMILESCc1ncsc1CN(C)C(C)CC#N
InChIInChI=1S/C10H15N3S/c1-8(4-5-11)13(3)6-10-9(2)12-7-14-10/h7-8H,4,6H2,1-3H3
InChIKeyPHVADPIQQRTIGA-UHFFFAOYSA-N
XLogP2.19
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-ethylsulfanyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 97160188
(3R)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]butanenitrile
CID 95975626
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
CID 63840300
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
3-N,2-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 79408549
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
3-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl-methylamino]butanenitrile
CID 63223288
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63841942
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75376265

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile?
The IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile (CID 63821064) is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile.
What is the SMILES notation for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile?
The canonical SMILES for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile is Cc1ncsc1CN(C)C(C)CC#N.
What is the InChIKey of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile?
The InChIKey is PHVADPIQQRTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8(4-5-11)13(3)6-10-9(2)12-7-14-10/h7-8H,4,6H2,1-3H3.
What are the key properties of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile?
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile is sourced from PubChem (CID 63821064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).