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

C17H31N3S — CID 62766838

IUPACN-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCC)CC2CC2)sc1CNC(C)C
InChIInChI=1S/C17H31N3S/c1-5-7-15-16(11-18-13(3)4)21-17(19-15)20(10-6-2)12-14-8-9-14/h13-14,18H,5-12H2,1-4H3
InChIKeyUZIOHIIGWLCONV-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds10

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

N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine (PubChem CID 62766838) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
PubChem CID62766838
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(CCC)CC2CC2)sc1CNC(C)C
InChIInChI=1S/C17H31N3S/c1-5-7-15-16(11-18-13(3)4)21-17(19-15)20(10-6-2)12-14-8-9-14/h13-14,18H,5-12H2,1-4H3
InChIKeyUZIOHIIGWLCONV-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
5-(ethylaminomethyl)-N,N,4-tripropyl-1,3-thiazol-2-amine
CID 55112998
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166
N-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 82734715
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62767699
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N-(cyclopropylmethyl)-N,4-diethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 63940677
5-(1-aminoethyl)-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62749832

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine (CID 62766838) is N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine is CCCc1nc(N(CCC)CC2CC2)sc1CNC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine?
The InChIKey is UZIOHIIGWLCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-7-15-16(11-18-13(3)4)21-17(19-15)20(10-6-2)12-14-8-9-14/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).