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

C17H29N3S — CID 62768050

IUPACN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC(C)C)C2CC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(10-18-13-6-7-13)21-17(19-15)20(11-12(2)3)14-8-9-14/h12-14,18H,4-11H2,1-3H3
InChIKeyJEOGGGUXILRWJF-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.97
Rot. Bonds9

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

N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 62768050) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
PubChem CID62768050
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CC(C)C)C2CC2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-5-15-16(10-18-13-6-7-13)21-17(19-15)20(11-12(2)3)14-8-9-14/h12-14,18H,4-11H2,1-3H3
InChIKeyJEOGGGUXILRWJF-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766993
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 81064697
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62769172
N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-ethyl-4-propyl-1,3-thiazol-2-amine
CID 62767617
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073
N-[[2-(2,3-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767317

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine (CID 62768050) is N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(CC(C)C)C2CC2)sc1CNC1CC1.
What is the InChIKey of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is JEOGGGUXILRWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-5-15-16(10-18-13-6-7-13)21-17(19-15)20(11-12(2)3)14-8-9-14/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine?
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-(2-methylpropyl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).