5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine

C16H29N3OS — CID 81064697

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CCOC(C)C)sc1CNC1CC1
InChIInChI=1S/C16H29N3OS/c1-5-6-14-15(11-17-13-7-8-13)21-16(18-14)19(4)9-10-20-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeySAZDENKJNVEVAD-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.21
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 81064697) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
PubChem CID81064697
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)CCOC(C)C)sc1CNC1CC1
InChIInChI=1S/C16H29N3OS/c1-5-6-14-15(11-17-13-7-8-13)21-16(18-14)19(4)9-10-20-12(2)3/h12-13,17H,5-11H2,1-4H3
InChIKeySAZDENKJNVEVAD-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766993
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
CID 62768050
4-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81063717
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62767283
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510728
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine (CID 81064697) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)CCOC(C)C)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is SAZDENKJNVEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-6-14-15(11-17-13-7-8-13)21-16(18-14)19(4)9-10-20-12(2)3/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81064697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).