N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine

C17H31N3S — CID 79380658

IUPACN-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H31N3S/c1-6-9-20(11-14-7-8-14)17-19-16(12(2)3)15(21-17)10-18-13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeySBHPFZZERAFYBC-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.39
Rot. Bonds9

About N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79380658) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79380658
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC1CC1)c1nc(C(C)C)c(CNC(C)C)s1
InChIInChI=1S/C17H31N3S/c1-6-9-20(11-14-7-8-14)17-19-16(12(2)3)15(21-17)10-18-13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeySBHPFZZERAFYBC-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62767699
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79393368
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524
5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62749832
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
5-(methylaminomethyl)-4-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79392791
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79380658) is N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine is CCCN(CC1CC1)c1nc(C(C)C)c(CNC(C)C)s1.
What is the InChIKey of N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SBHPFZZERAFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-9-20(11-14-7-8-14)17-19-16(12(2)3)15(21-17)10-18-13(4)5/h12-14,18H,6-11H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79380658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).