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

C13H23N3S — CID 62751631

IUPACN-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)C(C)C2CC2)s1
InChIInChI=1S/C13H23N3S/c1-9(2)14-7-12-8-15-13(17-12)16(4)10(3)11-5-6-11/h8-11,14H,5-7H2,1-4H3
InChIKeyFNPKVWLVUGLOAS-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds6

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

N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62751631) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62751631
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)C(C)C2CC2)s1
InChIInChI=1S/C13H23N3S/c1-9(2)14-7-12-8-15-13(17-12)16(4)10(3)11-5-6-11/h8-11,14H,5-7H2,1-4H3
InChIKeyFNPKVWLVUGLOAS-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 55112108
N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62754452
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768154
N-butan-2-yl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62750265
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281707
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N,N-dimethyl-N'-(2-methylpropyl)-N'-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 62753392
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62888907
(2S)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylbutan-1-ol
CID 103735392
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282579

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62751631) is N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CC(C)NCc1cnc(N(C)C(C)C2CC2)s1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is FNPKVWLVUGLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)14-7-12-8-15-13(17-12)16(4)10(3)11-5-6-11/h8-11,14H,5-7H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62751631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).